N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide

C22H23FN6O2 — CID 166218439

IUPACN-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccn(Cc2ccncc2)n1)c1ccc(NC(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C22H23FN6O2/c23-18-14-17(4-5-19(18)25-22(31)28-11-2-1-3-12-28)21(30)26-20-8-13-29(27-20)15-16-6-9-24-10-7-16/h4-10,13-14H,1-3,11-12,15H2,(H,25,31)(H,26,27,30)
InChIKeyHOORQLMESYDVHZ-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.74
Rot. Bonds5

About N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide

N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 166218439) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID166218439
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC NameN-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccn(Cc2ccncc2)n1)c1ccc(NC(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C22H23FN6O2/c23-18-14-17(4-5-19(18)25-22(31)28-11-2-1-3-12-28)21(30)26-20-8-13-29(27-20)15-16-6-9-24-10-7-16/h4-10,13-14H,1-3,11-12,15H2,(H,25,31)(H,26,27,30)
InChIKeyHOORQLMESYDVHZ-UHFFFAOYSA-N
XLogP3.74
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(2-oxoimidazolidin-1-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide
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4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
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4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide
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8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
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3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide (CID 166218439) is N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide is O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc(NC(=O)N2CCCCC2)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is HOORQLMESYDVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c23-18-14-17(4-5-19(18)25-22(31)28-11-2-1-3-12-28)21(30)26-20-8-13-29(27-20)15-16-6-9-24-10-7-16/h4-10,13-14H,1-3,11-12,15H2,(H,25,31)(H,26,27,30).
What are the key properties of N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide?
N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 166218439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).